Potassium Cation → 3-[[2-[2-(2-Fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-nitrophenyl)sulfonylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid

HRID 90892Notes

Reaction equation

HRID 90892 reaction equation
[CH3:51][OH:52].[F:1][c:2]1[c:3]([CH:8]2[CH:9]([S:37](=[O:38])(=[O:39])[c:40]3[cH:41][cH:42][c:43]([N+:46](=[O:47])[O-:48])[cH:44][cH:45]3)[CH2:10][CH:11]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[N:12]2[C:13]([CH2:14][NH:15][C:16](=[O:17])[NH:18][c:19]2[cH:20][c:21]([C:25](=[O:26])[O:27][CH3:28])[cH:22][cH:23][cH:24]2)=[O:29])[cH:4][cH:5][cH:6][cH:7]1.[K+:50].[OH-:49].[OH2:53]>>[F:1][c:2]1[c:3]([CH:8]2[CH:9]([S:37](=[O:38])(=[O:39])[c:40]3[cH:41][cH:42][c:43]([N+:46](=[O:47])[O-:48])[cH:44][cH:45]3)[CH2:10][CH:11]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[N:12]2[C:13]([CH2:14][NH:15][C:16](=[O:17])[NH:18][c:19]2[cH:20][c:21]([C:25](=[O:26])[OH:27])[cH:22][cH:23][cH:24]2)=[O:29])[cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 86752035HCID 86752035, compound

Product 1

HCID 197004313-[[2-[2-(2-Fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-nitrophenyl)sulfonylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid

Sources & evidence

ORD record
ord-de7c7e8afbfd434da019bfbc54791039
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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